UCSF

ZINC66581811

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 6.84 -48.58 1 6 1 62 386.563 5
Mid Mid (pH 6-8) 2.04 4.61 -13.79 0 6 0 61 385.555 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )